(1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl) 2-chloranylpyridine-3-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl) 2-chloranylpyridine-3-carboxylate Openeye Name: 1-(phenothiazine-10-carbonyl)propyl 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [1-oxo-1-(10-phenothiazinyl)butan-2-yl] ester IUPAC Name: (1-oxo-1-phenothiazin-10-ylbutan-2-yl) 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid 1-(phenothiazine-10-carbonyl)propyl ester Formula: C22H17ClN2O3S MolecularWeight: 424.89998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)C4=C(N=CC=C4)Cl

Isomeric SMILES

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)C4=C(N=CC=C4)Cl

InChI

InChI=1S/C22H17ClN2O3S/c1-2-17(28-22(27)14-8-7-13-24-20(14)23)21(26)25-15-9-3-5-11-18(15)29-19-12-6-4-10-16(19)25/h3-13,17H,2H2,1H3